CID 160415

Diphoxazide

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CC(=O)NNC(=O)CC(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C17H18N2O3/c1-13(20)18-19-16(21)12-17(22,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,22H,12H2,1H3,(H,18,20)(H,19,21)
InChIKey
ZLPKTCYXMOJGBC-UHFFFAOYSA-N
Compound name
N'-acetyl-3-hydroxy-3,3-diphenylpropanehydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

298.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.139016 169.1
[M+Na]+ 321.120958 172.6
[M-H]- 297.124464 173.9
[M+NH4]+ 316.165563 182.2
[M+K]+ 337.094898 169.3
[M+H-H2O]+ 281.129000 161.2
[M+HCOO]- 343.129941 190.5
[M+CH3COO]- 357.145591 203.2
[M+Na-2H]- 319.106406 174.5
[M]+ 298.13119142 166.8
[M]- 298.13228858 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe